SCHEMBL461509

SCHEMBL461509

Cc1cc(CC(C)C)n2nc(-c3cccc(Cl)c3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 6/20 0.51
DPP4 P27487 3/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
HCRTR1 O43613 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL462950 0.79 NPC1 (0.57) NPC1RAB9AKDM4EDPP4DPP8
SCHEMBL462684 0.78 MAPT (0.79) NPC1RAB9AKDM4EDPP4DPP8
SCHEMBL461006 0.75 DPP4 (0.45) NPC1RAB9AKDM4EDPP4DPP8
SCHEMBL7062668 0.74 HPGD (0.65) NPC1RAB9AKDM4EDPP4DPP8
SCHEMBL10175047 0.74 DPP4 (0.50) NPC1RAB9AKDM4EDPP4DPP8
SCHEMBL457708 0.73 DPP4 (0.46) KDM4EDPP4DPP8DPP9MAPT
SCHEMBL463148 0.73 POLB (0.44) KDM4EDPP4DPP8DPP9MAPT
SCHEMBL463149 0.73 POLB (0.44) KDM4EDPP4DPP8DPP9MAPT
SCHEMBL462697 0.73 DPP4 (0.54) NPC1RAB9AKDM4EDPP4DPP8
SCHEMBL462683 0.72 KDM4E (0.49) NPC1RAB9AKDM4EDPP4DPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS NPC1 434/4885RAB9A 1173/4885KDM4E 2143/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.